Resonance electron attachment in a series of brominated phenyl ethers, including decabromodiphenyl ether (DBDE), was investigated in the gas phase by means of electron transmission spectroscopy (ETS) and dissociative electron attachment spectroscopy (DEAS). Attachment of thermal electrons to DBDE leads to various dissociative decay channels of the temporary molecular anion. In contrast to other bromophenyl ethers, the bromide anion is not the most intense negative fragment. The neutral counterparts of the observed [Br2]— and [C6Br4O]— anion fragments are ascribed to the closed-shell species octabromodibenzofuran and hexabromobenzene, respectively, although their formation implies complex atomic rearrangements. Density functional theory calculations are employed to evaluate electron affinities, thermodynamic energy thresholds for production of the anion fragments observed in the DEA spectra and the proton affinities of the corresponding neutral radicals. Since DBDE is one of the most widespread organic pollutants, the present gas-phase DEA study can provide indications on the reaction mechanisms which occur in-vivo and cause injuries to living cells.

Degradation of gas phase decabromodiphenyl ether by resonant interaction with low-energy electrons.

MODELLI, ALBERTO
2011

Abstract

Resonance electron attachment in a series of brominated phenyl ethers, including decabromodiphenyl ether (DBDE), was investigated in the gas phase by means of electron transmission spectroscopy (ETS) and dissociative electron attachment spectroscopy (DEAS). Attachment of thermal electrons to DBDE leads to various dissociative decay channels of the temporary molecular anion. In contrast to other bromophenyl ethers, the bromide anion is not the most intense negative fragment. The neutral counterparts of the observed [Br2]— and [C6Br4O]— anion fragments are ascribed to the closed-shell species octabromodibenzofuran and hexabromobenzene, respectively, although their formation implies complex atomic rearrangements. Density functional theory calculations are employed to evaluate electron affinities, thermodynamic energy thresholds for production of the anion fragments observed in the DEA spectra and the proton affinities of the corresponding neutral radicals. Since DBDE is one of the most widespread organic pollutants, the present gas-phase DEA study can provide indications on the reaction mechanisms which occur in-vivo and cause injuries to living cells.
S.A. Pshenichnyuk; G.S. Lomakin; A. Modelli
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/102442
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